SCHEMBL988052

SCHEMBL988052

O=C(Oc1cccc2ccccc12)C(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
GAA P10253 2/20 0.56
PGR P06401 1/20 0.56
PTGS1 P23219 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MMP2 P08253 1/20 0.48
FABP3 P05413 5/20 0.47
FABP7 O15540 4/20 0.47
FABP5 Q01469 3/20 0.47
BCHE P06276 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1538258 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL4082182 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL31748924 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL878536 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL28010762 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL12128703 0.79 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL7737365 0.79 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL7181428 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29901836 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL37865 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10GAAPGRPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107179366-B The high-throughput non-targeted screening identification method of organo-chlorine pollutant in a kind of deposit 南京大学 2019-11-05 CN disclosed
CN-107179366-A The non-targeted examination authentication method of organo-chlorine pollutant high flux in a kind of deposit 南京大学 2017-09-19 CN disclosed
US-20160349088-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES PATEL GORDHANBHAI (US) 2016-12-01 US disclosed
EP-2475612-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2012-07-18 EP disclosed
US-20110071319-A1 METHOD FOR PREPARING HALOGENATED ORGANOPHOSPHINES CYTEC CANADA INC. (CA) 2011-03-24 US disclosed
EP-2297171-A2 METHOD FOR PREPARING HALOGENATED ORGANOPHOSPHINES Cytec Canada Inc. (CA) 2011-03-23 EP disclosed
WO-2011031959-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2011-03-17 WO disclosed
US-20110003279-A1 Monitoring devices and processes based on transformation, destruction and conversion of nanostructures PATEL GORDHANBHAI NATHALAL 2011-01-06 US disclosed
WO-2009147495-A2 METHOD FOR PREPARING HALOGENATED ORGANOPHOSPHINES CYTEC CANADA INC. (CA) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071319-A1 METHOD FOR PREPARING HALOGENATED ORGANOPHOSPHINES NR1H3, NR1H2, LPAR3 ALDH1A1 3748/4885HSD17B10 470/4885GAA 3795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.